General Information of the Compound
| Compound ID |
CP0459350
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| Compound Name |
2-[[6-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]hexanoic acid
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| Structure |
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| Formula |
C24H28N2O3S2
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| Molecular Weight |
456.633
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| Canonical SMILES |
CCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O
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| InChI |
InChI=1S/C24H28N2O3S2/c1-5-6-7-19(22(28)29)30-23-26-18-13-12-17(14-20(18)31-23)25-21(27)15-8-10-16(11-9-15)24(2,3)4/h8-14,19H,5-7H2,1-4H3,(H,25,27)(H,28,29)
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| InChIKey |
LPBPHGWPSASLNX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma